2-[[3-(3-oxidanylidene-1-phenacyl-piperazin-2-yl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(3-oxidanylidene-1-phenacyl-piperazin-2-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(3-oxo-1-phenacyl-piperazin-2-yl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-(3-oxo-1-phenacyl-2-piperazinyl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(3-oxo-1-phenacylpiperazin-2-yl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(3-keto-1-phenacyl-piperazin-2-yl)benzyl]isoindoline-1,3-quinone Formula: C27H23N3O4 MolecularWeight: 453.48922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O)CC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O)CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c31-23(19-8-2-1-3-9-19)17-29-14-13-28-25(32)24(29)20-10-6-7-18(15-20)16-30-26(33)21-11-4-5-12-22(21)27(30)34/h1-12,15,24H,13-14,16-17H2,(H,28,32)